2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methoxypyridine

C8H7ClF2INO — CID 118809962

IUPAC2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methoxypyridine
SMILESCOc1c(C(F)F)cc(I)nc1CCl
InChIInChI=1S/C8H7ClF2INO/c1-14-7-4(8(10)11)2-6(12)13-5(7)3-9/h2,8H,3H2,1H3
InChIKeyBFUAGKOFDDSLEN-UHFFFAOYSA-N
MW333.50 g/mol
LogP3.37
Rot. Bonds3

About 2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methoxypyridine

2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methoxypyridine (PubChem CID 118809962) has the molecular formula C8H7ClF2INO and a molecular weight of 333.50 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methoxypyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methoxypyridine
PubChem CID118809962
Molecular FormulaC8H7ClF2INO
Molecular Weight333.50 g/mol
Exact Mass332.92
IUPAC Name2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methoxypyridine
SMILESCOc1c(C(F)F)cc(I)nc1CCl
InChIInChI=1S/C8H7ClF2INO/c1-14-7-4(8(10)11)2-6(12)13-5(7)3-9/h2,8H,3H2,1H3
InChIKeyBFUAGKOFDDSLEN-UHFFFAOYSA-N
XLogP3.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine
CID 118837290
2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine
CID 118855239
2-[6-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid
CID 133099163
4-(difluoromethyl)-6-iodo-3-methoxypyridine-2-carboxylic acid
CID 118835420
2-[6-(chloromethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile
CID 130091380
ethyl 2-[2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133101084
4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine
CID 130068807
2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine
CID 130080662
[4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanol
CID 130087924
methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133100336
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-iodopyridine
CID 119013287
[6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol
CID 130068890

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methoxypyridine?
The IUPAC name of 2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methoxypyridine (CID 118809962) is 2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methoxypyridine.
What is the SMILES notation for 2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methoxypyridine?
The canonical SMILES for 2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methoxypyridine is COc1c(C(F)F)cc(I)nc1CCl.
What is the InChIKey of 2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methoxypyridine?
The InChIKey is BFUAGKOFDDSLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2INO/c1-14-7-4(8(10)11)2-6(12)13-5(7)3-9/h2,8H,3H2,1H3.
What are the key properties of 2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methoxypyridine?
2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methoxypyridine has a molecular weight of 333.50 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methoxypyridine is sourced from PubChem (CID 118809962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).